Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5q4m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 2.A SG PRO 3.A O no hydrogen 3.756 N/A LYS 6.A N PRO 3.A O no hydrogen 3.229 N/A LYS 6.A NZ ASP 16.A O no hydrogen 2.639 N/A LYS 7.A N PHE 4.A O no hydrogen 2.814 N/A ILE 8.A N PHE 13.A O no hydrogen 3.234 N/A THR 11.A N ILE 8.A O no hydrogen 3.198 N/A THR 11.A OG1 ILE 8.A O no hydrogen 2.374 N/A PHE 13.A N THR 11.A OG1 no hydrogen 3.131 N/A THR 14.A N ALA 28.A O no hydrogen 3.308 N/A VAL 15.A N LYS 6.A O no hydrogen 3.219 N/A ASP 16.A N PHE 30.A O no hydrogen 2.862 N/A VAL 23.A N TYR 29.A OH no hydrogen 3.211 N/A CYS 26.A N VAL 23.A O no hydrogen 3.145 N/A CYS 26.A SG GLY 12.A O no hydrogen 3.676 N/A CYS 26.A SG THR 14.A OG1 no hydrogen 3.390 N/A CYS 26.A SG ALA 28.A O no hydrogen 3.216 N/A THR 27.A N GLY 12.A O no hydrogen 2.910 N/A THR 27.A OG1 GLY 12.A O no hydrogen 3.372 N/A ALA 28.A N GLY 12.A O no hydrogen 3.455 N/A TYR 29.A N PRO 49.A O no hydrogen 3.137 N/A PHE 30.A N THR 14.A O no hydrogen 2.908 N/A LEU 31.A N TYR 51.A O no hydrogen 3.064 N/A THR 32.A N ASP 16.A OD1 no hydrogen 2.804 N/A THR 32.A OG1 ASP 16.A OD1 no hydrogen 3.404 N/A THR 32.A OG1 ASP 16.A OD2 no hydrogen 2.747 N/A THR 32.A OG1 HIS 33.A ND1 no hydrogen 2.948 N/A HIS 33.A ND1 THR 32.A OG1 no hydrogen 2.948 N/A HIS 35.A NE2 ILE 182.A O no hydrogen 2.897 N/A HIS 38.A N HIS 35.A O no hydrogen 2.790 N/A HIS 38.A ND1 ASP 16.A OD2 no hydrogen 2.854 N/A TYR 39.A N HIS 35.A O no hydrogen 3.027 N/A LEU 42.A N TYR 39.A O no hydrogen 3.097 N/A PHE 46.A N SER 43.A O no hydrogen 3.199 N/A VAL 50.A N TYR 70.A O no hydrogen 2.973 N/A TYR 51.A N TYR 29.A O no hydrogen 2.898 N/A CYS 52.A N HIS 72.A O no hydrogen 3.340 N/A CYS 52.A SG SER 53.A O no hydrogen 3.478 N/A SER 53.A OG THR 56.A OG1 no hydrogen 3.136 N/A SER 53.A OG GLY 97.A O no hydrogen 2.723 N/A THR 56.A N SER 53.A OG no hydrogen 3.153 N/A THR 56.A OG1 SER 53.A OG no hydrogen 3.136 N/A THR 56.A OG1 GLY 97.A O no hydrogen 3.275 N/A GLY 57.A N SER 53.A O no hydrogen 2.919 N/A ASN 58.A N GLU 54.A O no hydrogen 2.914 N/A ASN 58.A ND2 CYS 211.A O no hydrogen 3.051 N/A LEU 59.A N ILE 55.A O no hydrogen 3.180 N/A LEU 60.A N THR 56.A O no hydrogen 2.914 N/A LYS 61.A N GLY 57.A O no hydrogen 3.087 N/A LYS 61.A NZ GLU 68.A OE2 no hydrogen 3.462 N/A ASN 62.A N ASN 58.A O no hydrogen 3.027 N/A ASN 62.A ND2 ASN 58.A O no hydrogen 2.886 N/A LYS 63.A N LEU 59.A O no hydrogen 2.880 N/A LYS 63.A NZ GLU 204.A O no hydrogen 3.148 N/A LYS 63.A NZ THR 208.A OG1 no hydrogen 2.877 N/A LEU 64.A N LEU 59.A O no hydrogen 3.361 N/A LEU 64.A N LEU 60.A O no hydrogen 3.211 N/A VAL 66.A N LEU 60.A O no hydrogen 3.104 N/A GLN 67.A NE2 LYS 44.A O no hydrogen 3.612 N/A TYR 70.A N GLN 67.A O no hydrogen 3.031 N/A TYR 70.A OH GLN 69.A OE1 no hydrogen 3.148 N/A ILE 71.A N GLU 68.A O no hydrogen 3.232 N/A HIS 72.A N VAL 50.A O no hydrogen 2.795 N/A LEU 74.A N CYS 52.A O no hydrogen 2.905 N/A ASP 77.A N LEU 89.A O no hydrogen 2.914 N/A THR 78.A OG1 LEU 76.A O no hydrogen 2.837 N/A CYS 80.A N VAL 87.A O no hydrogen 2.906 N/A CYS 80.A SG THR 78.A O no hydrogen 3.459 N/A VAL 82.A N VAL 85.A O no hydrogen 2.939 N/A ASN 83.A ND2 THR 27.A O no hydrogen 3.629 N/A ASN 83.A ND2 THR 27.A OG1 no hydrogen 3.152 N/A VAL 85.A N VAL 82.A O no hydrogen 2.937 N/A LYS 86.A NZ GLU 79.A OE2 no hydrogen 3.058 N/A VAL 87.A N CYS 80.A O no hydrogen 2.798 N/A VAL 88.A N LEU 102.A O no hydrogen 3.017 N/A LEU 90.A N MET 100.A O no hydrogen 2.863 N/A ALA 92.A N ALA 98.A O no hydrogen 3.198 N/A ASN 93.A N ASP 91.A OD2 no hydrogen 2.856 N/A ASN 93.A ND2 ARG 118.A O no hydrogen 3.000 N/A HIS 94.A ND1 GLU 294.A O no hydrogen 2.791 N/A HIS 94.A NE2 HIS 35.A ND1 no hydrogen 3.238 N/A CYS 95.A SG HIS 35.A NE2 no hydrogen 3.790 N/A CYS 95.A SG PRO 96.A O no hydrogen 3.788 N/A ALA 98.A N CYS 95.A O no hydrogen 3.079 N/A VAL 99.A N THR 32.A O no hydrogen 2.967 N/A MET 100.A N LEU 90.A O no hydrogen 2.840 N/A ILE 101.A N HIS 113.A O no hydrogen 2.881 N/A LEU 102.A N VAL 88.A O no hydrogen 2.887 N/A PHE 103.A N ILE 111.A O no hydrogen 2.937 N/A TYR 104.A N LYS 86.A O no hydrogen 2.949 N/A TYR 104.A OH GLN 131.A OE1 no hydrogen 2.819 N/A LEU 105.A N THR 109.A O no hydrogen 2.915 N/A GLY 108.A N LEU 105.A O no hydrogen 3.016 N/A THR 109.A N ASN 107.A OD1 no hydrogen 3.017 N/A THR 109.A OG1 ASN 107.A OD1 no hydrogen 2.985 N/A VAL 110.A N HIS 134.A ND1 no hydrogen 3.118 N/A ILE 111.A N PHE 103.A O no hydrogen 2.949 N/A LEU 112.A N MET 135.A O no hydrogen 2.966 N/A HIS 113.A N ILE 101.A O no hydrogen 2.887 N/A THR 114.A N TYR 137.A O no hydrogen 2.959 N/A THR 114.A OG1 GLY 115.A O no hydrogen 2.958 N/A THR 114.A OG1 TYR 137.A O no hydrogen 3.268 N/A GLY 115.A N HIS 113.A ND1 no hydrogen 3.055 N/A PHE 117.A N ASP 139.A OD2 no hydrogen 3.087 N/A ARG 118.A N ALA 92.A O no hydrogen 3.287 N/A ARG 118.A NE GLU 300.A OE1 no hydrogen 2.842 N/A ARG 118.A NH1 SER 293.A O no hydrogen 2.973 N/A ARG 118.A NH2 PRO 150.A O no hydrogen 3.205 N/A ARG 118.A NH2 GLU 300.A OE1 no hydrogen 3.485 N/A ARG 118.A NH2 GLU 300.A OE2 no hydrogen 3.062 N/A ALA 119.A N SER 296.A OG no hydrogen 3.018 N/A SER 122.A N ASP 120.A OD2 no hydrogen 3.033 N/A SER 122.A OG ASP 120.A OD2 no hydrogen 2.738 N/A MET 123.A N ASP 120.A O no hydrogen 2.926 N/A GLU 124.A N PRO 121.A O no hydrogen 3.025 N/A ARG 125.A N SER 122.A O no hydrogen 3.077 N/A SER 126.A N MET 123.A O no hydrogen 3.374 N/A SER 126.A OG MET 123.A O no hydrogen 2.656 N/A LEU 128.A N SER 126.A OG no hydrogen 3.146 N/A ALA 129.A N SER 126.A O no hydrogen 3.192 N/A HIS 134.A N VAL 110.A O no hydrogen 2.970 N/A MET 135.A N VAL 110.A O no hydrogen 3.390 N/A LEU 136.A N LYS 312.A O no hydrogen 2.980 N/A TYR 137.A N LEU 112.A O no hydrogen 2.906 N/A LEU 138.A N ILE 314.A O no hydrogen 2.953 N/A ASP 139.A N THR 114.A OG1 no hydrogen 2.972 N/A THR 140.A OG1 LEU 138.A O no hydrogen 3.510 N/A THR 140.A OG1 VAL 317.A O no hydrogen 2.691 N/A THR 141.A N ASP 139.A OD1 no hydrogen 3.078 N/A THR 141.A OG1 ASP 139.A OD1 no hydrogen 2.669 N/A CYS 143.A N THR 140.A O no hydrogen 3.179 N/A SER 144.A N TYR 142.A O no hydrogen 2.972 N/A SER 144.A OG GLU 146.A OE1 no hydrogen 2.401 N/A SER 144.A OG GLU 146.A OE2 no hydrogen 3.271 N/A GLU 146.A N GLU 146.A OE1 no hydrogen 2.696 N/A TYR 147.A N SER 144.A O no hydrogen 3.004 N/A SER 151.A N GLU 154.A OE2 no hydrogen 3.189 N/A SER 151.A OG GLU 154.A OE2 no hydrogen 3.214 N/A GLU 154.A N SER 151.A OG no hydrogen 3.064 N/A VAL 155.A N SER 151.A O no hydrogen 3.262 N/A ILE 156.A N GLN 152.A O no hydrogen 2.921 N/A ARG 157.A N GLN 153.A O no hydrogen 2.908 N/A PHE 158.A N GLU 154.A O no hydrogen 3.115 N/A ALA 159.A N VAL 155.A O no hydrogen 3.064 N/A ILE 160.A N ILE 156.A O no hydrogen 2.970 N/A ASN 161.A N ARG 157.A O no hydrogen 3.067 N/A THR 162.A N PHE 158.A O no hydrogen 2.994 N/A THR 162.A OG1 PHE 158.A O no hydrogen 2.798 N/A ALA 163.A N ALA 159.A O no hydrogen 2.981 N/A PHE 164.A N ILE 160.A O no hydrogen 2.878 N/A GLU 165.A N ASN 161.A O no hydrogen 2.944 N/A ALA 166.A N THR 162.A O no hydrogen 3.106 N/A VAL 167.A N ALA 163.A O no hydrogen 3.057 N/A THR 168.A N PHE 164.A O no hydrogen 3.019 N/A THR 168.A OG1 PHE 164.A O no hydrogen 2.797 N/A LEU 169.A N GLU 165.A O no hydrogen 3.007 N/A ASN 170.A N ALA 166.A O no hydrogen 2.964 N/A ALA 173.A N ASN 170.A O no hydrogen 2.913 N/A LEU 174.A N GLN 256.A O no hydrogen 2.968 N/A VAL 175.A N LEU 229.A O no hydrogen 3.243 N/A VAL 176.A N LEU 258.A O no hydrogen 2.932 N/A CYS 177.A N.A HIS 231.A O no hydrogen 3.000 N/A CYS 177.A N.B HIS 231.A O no hydrogen 2.992 N/A CYS 177.A SG.B GLY 178.A O no hydrogen 3.778 N/A GLY 178.A N PHE 260.A O no hydrogen 3.028 N/A THR 179.A N LEU 233.A O no hydrogen 3.055 N/A SER 181.A OG ILE 182.A O no hydrogen 3.242 N/A GLY 183.A N GLU 185.A OE2 no hydrogen 2.819 N/A LYS 184.A N GLU 294.A OE2 no hydrogen 2.846 N/A LYS 184.A NZ THR 263.A O no hydrogen 3.144 N/A LYS 184.A NZ TYR 292.A O no hydrogen 2.924 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 2.920 N/A VAL 187.A N LYS 184.A O no hydrogen 3.079 N/A LEU 189.A N GLU 185.A O no hydrogen 2.971 N/A ALA 190.A N LYS 186.A O no hydrogen 2.915 N/A ILE 191.A N VAL 187.A O no hydrogen 3.325 N/A ALA 192.A N PHE 188.A O no hydrogen 3.057 N/A ASP 193.A N LEU 189.A O no hydrogen 3.012 N/A VAL 194.A N ALA 190.A O no hydrogen 3.190 N/A LEU 195.A N ILE 191.A O no hydrogen 3.194 N/A GLY 196.A N ASP 193.A O no hydrogen 3.264 N/A SER 197.A N ALA 192.A O no hydrogen 3.069 N/A SER 197.A OG LYS 198.A O no hydrogen 2.659 N/A LYS 198.A NZ ASN 218.A O no hydrogen 3.337 N/A VAL 199.A N LEU 220.A O no hydrogen 2.957 N/A GLY 200.A N VAL 230.A O no hydrogen 2.942 N/A MET 201.A N THR 222.A O no hydrogen 3.167 N/A LYS 205.A N SER 202.A OG no hydrogen 3.092 N/A LYS 205.A NZ THR 179.A OG1 no hydrogen 3.009 N/A LYS 205.A NZ SER 181.A O no hydrogen 3.277 N/A TYR 206.A N SER 202.A O no hydrogen 2.973 N/A LYS 207.A N GLN 203.A O no hydrogen 2.994 N/A LYS 207.A NZ ASN 62.A O no hydrogen 2.933 N/A THR 208.A N GLU 204.A O no hydrogen 3.184 N/A THR 208.A OG1 GLU 204.A O no hydrogen 3.243 N/A LEU 209.A N LYS 205.A O no hydrogen 2.995 N/A GLN 210.A N TYR 206.A O no hydrogen 2.955 N/A CYS 211.A N THR 208.A O no hydrogen 3.021 N/A CYS 211.A SG ASN 58.A O no hydrogen 3.854 N/A CYS 211.A SG LYS 207.A O no hydrogen 3.587 N/A LEU 212.A N LEU 209.A O no hydrogen 3.158 N/A ILE 217.A N ILE 214.A O no hydrogen 3.282 N/A SER 219.A N GLU 216.A O no hydrogen 2.948 N/A SER 219.A OG GLU 216.A O no hydrogen 2.504 N/A LEU 220.A N ILE 217.A O no hydrogen 2.788 N/A THR 222.A N VAL 199.A O no hydrogen 2.952 N/A ASP 224.A N THR 222.A OG1 no hydrogen 3.073 N/A SER 227.A OG ASP 224.A O no hydrogen 3.242 N/A SER 228.A N MET 225.A O no hydrogen 3.164 N/A SER 228.A OG LYS 198.A O no hydrogen 3.042 N/A LEU 229.A N SER 197.A OG no hydrogen 3.106 N/A VAL 230.A N SER 228.A OG no hydrogen 3.376 N/A HIS 231.A N VAL 175.A O no hydrogen 2.845 N/A HIS 231.A ND1 HIS 246.A NE2 no hydrogen 3.125 N/A HIS 231.A NE2 MET 225.A O no hydrogen 3.002 N/A HIS 231.A NE2 SER 228.A O no hydrogen 2.941 N/A LEU 232.A N GLY 200.A O no hydrogen 2.962 N/A LEU 233.A N CYS 177.A O.A no hydrogen 3.215 N/A LEU 233.A N CYS 177.A O.B no hydrogen 3.043 N/A MET 235.A N THR 179.A O no hydrogen 2.999 N/A GLN 237.A N PRO 234.A O no hydrogen 2.977 N/A GLN 237.A NE2 GLY 242.A O no hydrogen 3.209 N/A ILE 238.A N MET 235.A O no hydrogen 2.999 N/A ASN 239.A N GLN 237.A O no hydrogen 2.847 N/A ASN 239.A ND2 MET 236.A O no hydrogen 2.881 N/A GLY 242.A N ASN 239.A OD1 no hydrogen 2.667 N/A LEU 243.A N ASN 239.A O no hydrogen 3.006 N/A GLN 244.A N PHE 240.A O no hydrogen 2.983 N/A SER 245.A N LYS 241.A O no hydrogen 3.048 N/A HIS 246.A N GLY 242.A O no hydrogen 2.995 N/A HIS 246.A NE2 HIS 231.A ND1 no hydrogen 3.125 N/A LEU 247.A N LEU 243.A O no hydrogen 2.958 N/A LYS 248.A N GLN 244.A O no hydrogen 3.115 N/A CYS 250.A N LEU 247.A O no hydrogen 3.127 N/A CYS 250.A SG HIS 246.A NE2 no hydrogen 3.973 N/A CYS 250.A SG HIS 246.A O no hydrogen 3.558 N/A GLY 251.A N LYS 248.A O no hydrogen 3.431 N/A ASN 255.A N HIS 172.A O no hydrogen 3.153 N/A ILE 257.A N ASN 284.A O no hydrogen 2.983 N/A LEU 258.A N LEU 174.A O no hydrogen 2.960 N/A ALA 259.A N SER 286.A O no hydrogen 2.902 N/A PHE 260.A N VAL 176.A O no hydrogen 2.983 N/A ARG 261.A N TYR 288.A O no hydrogen 2.883 N/A THR 263.A N ILE 290.A O no hydrogen 3.148 N/A THR 263.A OG1 GLY 264.A O no hydrogen 2.654 N/A TRP 265.A N TYR 142.A OH no hydrogen 3.233 N/A THR 266.A OG1 SER 268.A OG no hydrogen 3.196 N/A SER 268.A OG THR 266.A OG1 no hydrogen 3.196 N/A ASN 269.A N THR 266.A O no hydrogen 2.916 N/A ASN 269.A ND2 THR 266.A O no hydrogen 3.048 N/A LYS 270.A N HIS 267.A O no hydrogen 2.981 N/A THR 272.A N SER 268.A O no hydrogen 3.058 N/A ASP 276.A N ARG 273.A O no hydrogen 2.919 N/A VAL 277.A N ILE 274.A O no hydrogen 3.204 N/A GLN 280.A N ILE 287.A O no hydrogen 3.003 N/A THR 281.A OG1 SER 286.A OG no hydrogen 3.099 N/A LYS 282.A N ILE 285.A O no hydrogen 2.969 N/A ASN 284.A ND2 ASN 255.A O no hydrogen 2.976 N/A ILE 285.A N LYS 282.A O no hydrogen 3.222 N/A SER 286.A N ILE 257.A O no hydrogen 2.947 N/A SER 286.A OG THR 281.A OG1 no hydrogen 3.099 N/A ILE 287.A N GLN 280.A O no hydrogen 2.934 N/A TYR 288.A N ALA 259.A O no hydrogen 2.904 N/A ILE 290.A N ARG 261.A O no hydrogen 3.100 N/A TYR 292.A N ILE 290.A O no hydrogen 2.926 N/A SER 293.A OG HIS 295.A O no hydrogen 2.857 N/A HIS 295.A N SER 293.A OG no hydrogen 2.987 N/A HIS 295.A ND1 ASP 139.A OD2 no hydrogen 2.755 N/A SER 296.A N PHE 117.A O no hydrogen 3.125 N/A SER 296.A OG PHE 117.A O no hydrogen 3.300 N/A SER 297.A N GLU 300.A OE1 no hydrogen 2.925 N/A TYR 298.A N TYR 147.A O no hydrogen 3.438 N/A GLU 300.A N SER 297.A OG no hydrogen 3.154 N/A MET 301.A N SER 297.A O no hydrogen 2.984 N/A LYS 302.A N TYR 298.A O no hydrogen 2.903 N/A LYS 302.A NZ GLN 306.A OE1 no hydrogen 3.042 N/A LYS 302.A NZ GLU 338.A OE2 no hydrogen 2.811 N/A ARG 303.A N LEU 299.A O no hydrogen 3.015 N/A ARG 303.A NE GLU 124.A OE2 no hydrogen 2.910 N/A ARG 303.A NH2 GLU 124.A OE1 no hydrogen 3.076 N/A ARG 303.A NH2 GLU 124.A OE2 no hydrogen 3.442 N/A PHE 304.A N GLU 300.A O no hydrogen 3.119 N/A VAL 305.A N MET 301.A O no hydrogen 3.011 N/A GLN 306.A N LYS 302.A O no hydrogen 2.962 N/A GLN 306.A NE2 TRP 335.A O no hydrogen 2.979 N/A GLN 306.A NE2 GLU 338.A OE2 no hydrogen 3.108 N/A TRP 307.A N ARG 303.A O no hydrogen 3.011 N/A LEU 308.A N PHE 304.A O no hydrogen 2.910 N/A LYS 309.A N VAL 305.A O no hydrogen 2.900 N/A LYS 309.A NZ GLN 306.A O no hydrogen 3.000 N/A LYS 312.A N HIS 134.A O no hydrogen 3.024 N/A ILE 314.A N LEU 136.A O no hydrogen 2.884 N/A THR 316.A N LEU 138.A O no hydrogen 3.001 N/A THR 316.A OG1 LEU 138.A O no hydrogen 3.216 N/A VAL 317.A N THR 140.A OG1 no hydrogen 3.336 N/A ASN 318.A ND2 THR 140.A O no hydrogen 3.108 N/A ASN 318.A ND2 THR 141.A O no hydrogen 3.069 N/A THR 321.A OG1 SER 324.A OG no hydrogen 3.038 N/A SER 324.A N THR 321.A OG1 no hydrogen 2.940 N/A SER 324.A OG THR 321.A OG1 no hydrogen 3.038 N/A ARG 325.A N THR 321.A O no hydrogen 3.063 N/A SER 326.A N TRP 322.A O no hydrogen 2.912 N/A THR 327.A N LYS 323.A O no hydrogen 2.968 N/A THR 327.A OG1 LYS 323.A O no hydrogen 2.993 N/A MET 328.A N SER 324.A O no hydrogen 3.104 N/A GLU 329.A N.A ARG 325.A O no hydrogen 3.096 N/A GLU 329.A N.B ARG 325.A O no hydrogen 3.124 N/A LYS 330.A N SER 326.A O no hydrogen 3.077 N/A TYR 331.A N THR 327.A O no hydrogen 3.194 N/A PHE 332.A N MET 328.A O no hydrogen 3.017 N/A ARG 333.A N GLU 329.A O.A no hydrogen 3.093 N/A ARG 333.A N GLU 329.A O.B no hydrogen 3.014 N/A GLU 334.A N.A LYS 330.A O no hydrogen 3.059 N/A GLU 334.A N.B LYS 330.A O no hydrogen 3.022 N/A TRP 335.A N TYR 331.A O no hydrogen 2.915 N/A TRP 335.A NE1 TYR 298.A OH no hydrogen 2.965 N/A LYS 336.A N PHE 332.A O no hydrogen 3.073 N/A LYS 336.A NZ TYR 341.A O no hydrogen 3.537 N/A LYS 336.A NZ TYR 341.A OXT no hydrogen 3.077 N/A LEU 337.A N ARG 333.A O no hydrogen 2.969 N/A GLU 338.A N GLU 334.A O.A no hydrogen 2.828 N/A GLU 338.A N GLU 334.A O.B no hydrogen 3.170 N/A ALA 339.A N TRP 335.A O no hydrogen 3.081 N/A GLY 340.A N LYS 336.A O no hydrogen 2.771 N/A